December 14, 2019, 05:10:41 AM
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Topic: How to resolve this error message? Or What is the meaning of this error?  (Read 239 times)

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Offline adhikary

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Dear Scholars,

I am working in material studio (windows). A 7x7 and 8x8 graphene sheet where 3 carbon atoms are replaced by nitrogen by creating a hole. all the nitrogen atoms are pyridinic nitrogen in the sheet. Using DMole3 calculation during optimization it produces an error. I need to know the reason of this error and how to solve the problem? If anyone can help me, will be accepted thankfully. I am attaching a copy of error message.

Advance thanks is remaining for the fellow participants.

Sincerely

Keshab K. Adhikary
Keshab K. Adhikary
Center for Environment and Energy Research
Ghent University Global Campus
Yeonsu-Gu, Incheon; S. Korea
Email: keshabadhikary@yahoo.com

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